3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine

C15H25NOS — CID 28720104

IUPAC3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCc1ccsc1CNCCCOC1CCCCC1
InChIInChI=1S/C15H25NOS/c1-13-8-11-18-15(13)12-16-9-5-10-17-14-6-3-2-4-7-14/h8,11,14,16H,2-7,9-10,12H2,1H3
InChIKeyUGNHQBNTEXRFCH-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.89
Rot. Bonds7

About 3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine

3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 28720104) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID28720104
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCc1ccsc1CNCCCOC1CCCCC1
InChIInChI=1S/C15H25NOS/c1-13-8-11-18-15(13)12-16-9-5-10-17-14-6-3-2-4-7-14/h8,11,14,16H,2-7,9-10,12H2,1H3
InChIKeyUGNHQBNTEXRFCH-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine (CID 28720104) is 3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine is Cc1ccsc1CNCCCOC1CCCCC1.
What is the InChIKey of 3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is UGNHQBNTEXRFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-13-8-11-18-15(13)12-16-9-5-10-17-14-6-3-2-4-7-14/h8,11,14,16H,2-7,9-10,12H2,1H3.
What are the key properties of 3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine?
3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 28720104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).